Researchers from Singapore and China review the use of computational modeling for a better understanding of 2D materials.
Advanced Theory and Simulations
Novel Microfluidics Strategy for Efficient Fluid Manipulation
By using a series of micro-obstacles in semicircular microchannels, the acceleration of Dean-like secondary flow and helical vortices can be applied to achieve fluid manipulation in a highly-efficient manner.
Amphiphilic Behavior of Non-Amphiphilic Structures
A molecular view of non-classical micellization is provided by researchers from Sweden, Russia and the Czech Republic.
Understanding the Hydrolytic Stability of Covalent Organic Frameworks
Scientists from the USA and from the Kingdom of Saudi Arabia use DFT calculations for investigating the hydrolysis of boronate ester-linked COFs.
Molecular Electronics: A Simulation Study
New information about molecular electronics is revealed after conducting DFT simulations.
Revealing the Atomic Structure of Actinides
A series of light-actinide-embedded coinage metal superatomic models are designed and revealed an interesting dual nature in superatomic bonding for protactinium, uranium, neptunium, and plutonium.
Free Access: The Inaugural Issue of Advanced Theory and Simulations
All articles of the recently published first issue of Advanced Theory and Simulations are freely available for a limited time
Advanced Theory and Simulations – New Journal in 2018, Now Open for Submissions!
A new journal from the Advanced Materials family covering all aspects of theory and simulation in natural sciences is launching in early 2018.
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